2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-[1-(4-methylphenyl)-1H-pyrrol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-[1-(4-methylphenyl)-1H-pyrrol-2-yl]acrylamide
2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-[1-(4-methylphenyl)-1H-pyrrol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C370-5308 |
| Compound Name: | 2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-[1-(4-methylphenyl)-1H-pyrrol-2-yl]acrylamide |
| Molecular Weight: | 391.49 |
| Molecular Formula: | C21 H21 N5 O S |
| Smiles: | CC(C)Cc1nnc(NC(C(=C/c2cccn2c2ccc(C)cc2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.32 |
| logD: | 3.48 |
| logSw: | -6.26 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 138.49 |
| InChI Key: | NLBCVVVXZMDEHL-UHFFFAOYSA-N |